N-(5-bromanylpyridin-2-yl)-1-[(4-cyclopropyl-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[(4-cyclopropyl-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[(4-cyclopropyl-3-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[(4-cyclopropyl-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-[(4-cyclopropyl-3-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[(4-cyclopropyl-3-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]isonipecotamide Formula: C20H27BrN6OS MolecularWeight: 479.43698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=S)N1C2CC2)CN3CCC(CC3)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

CC(C)C1=NN(C(=S)N1C2CC2)CN3CCC(CC3)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C20H27BrN6OS/c1-13(2)18-24-26(20(29)27(18)16-4-5-16)12-25-9-7-14(8-10-25)19(28)23-17-6-3-15(21)11-22-17/h3,6,11,13-14,16H,4-5,7-10,12H2,1-2H3,(H,22,23,28)